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CAS Number: 58580-07-7
2-amino-5-bromo-3-nitrobenzoic acid

Structure

 2-amino-5-bromo-3-nitrobenzoic acid
Name: 2-amino-5-bromo-3-nitrobenzoic acid
Synonyms:
General Information
Product Number: 58580077

CAS Registry Number 58580-07-7
Name:
Benzoic acid, 2-?amino-?5-?bromo-?3-?nitro-
2-Amino-5-bromo-3-nitrobenzoic acid

 

Chemical Formula: C7H5BrN2O4
Exact Mass: 259.94
Molecular Weight: 261.03
m/z: 259.94 (100.0%), 261.94 (97.3%), 262.94 (8.1%), 260.95 (7.8%), 261.95 (1.1%), 263.95 (1.1%)

 

InChI:InChI=1S/C7H5BrN2O4/c8-3-1-4(7(11)12)6(9)5(2-3)10(13)14/h1-2H,9H2,(H,11,12)

InChI Key:MCQLFDJHSKKLHC-UHFFFAOYSA-N

Canonical SMILES:C1=C(C=C(C(=C1[N+](=O)[O-])N)C(=O)O)Br

 

Thermal Properties Value Condition Note
Melting Point 245-247 °C   (1)CAS

Specification

98%
References
  1. (1) Adams, Roger; Journal of the American Chemical Society 1938, V60, P1411-15 CAPLUS
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